N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-hydrazinylpyrimidine-5-sulfonamide

C11H22N6O2S — CID 61329687

IUPACN-[3-(dimethylamino)-2,2-dimethylpropyl]-2-hydrazinylpyrimidine-5-sulfonamide
SMILESCN(C)CC(C)(C)CNS(=O)(=O)c1cnc(NN)nc1
InChIInChI=1S/C11H22N6O2S/c1-11(2,8-17(3)4)7-15-20(18,19)9-5-13-10(16-12)14-6-9/h5-6,15H,7-8,12H2,1-4H3,(H,13,14,16)
InChIKeyOZRYWSSITAEHPV-UHFFFAOYSA-N
MW302.40 g/mol
LogP-0.37
Rot. Bonds7

About N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-hydrazinylpyrimidine-5-sulfonamide

N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-hydrazinylpyrimidine-5-sulfonamide (PubChem CID 61329687) has the molecular formula C11H22N6O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-hydrazinylpyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-2,2-dimethylpropyl]-2-hydrazinylpyrimidine-5-sulfonamide
PubChem CID61329687
Molecular FormulaC11H22N6O2S
Molecular Weight302.40 g/mol
Exact Mass302.15
IUPAC NameN-[3-(dimethylamino)-2,2-dimethylpropyl]-2-hydrazinylpyrimidine-5-sulfonamide
SMILESCN(C)CC(C)(C)CNS(=O)(=O)c1cnc(NN)nc1
InChIInChI=1S/C11H22N6O2S/c1-11(2,8-17(3)4)7-15-20(18,19)9-5-13-10(16-12)14-6-9/h5-6,15H,7-8,12H2,1-4H3,(H,13,14,16)
InChIKeyOZRYWSSITAEHPV-UHFFFAOYSA-N
XLogP-0.37
TPSA113.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-hydrazinylpyrimidine-5-sulfonamide
CID 61327931
4-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide chloride
CID 53350877
6-[[3-(dimethylamino)-2,2-dimethylpropyl]sulfamoyl]pyridine-3-carboxylic acid
CID 63872779
4-[[3-(dimethylamino)-2,2-dimethylpropyl]sulfamoyl]benzoic acid
CID 29293310
N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-phenylbenzenesulfonamide
CID 4993242
2-hydrazinyl-N-(3,3,3-trifluoropropyl)pyrimidine-5-sulfonamide
CID 63227725
4-[[3-(dimethylamino)-2,2-dimethylpropyl]sulfamoyl]thiophene-2-carboxylic acid
CID 61062567
4-[(2R)-butan-2-yl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide
CID 2096189
N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-(2-hydroxyethyl)benzenesulfonamide
CID 107442691
4-butan-2-yl-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide
CID 4264715
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(3-hydroxypropyl)pyrazole-4-sulfonamide
CID 107455994
4-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(trifluoromethyl)benzenesulfonamide
CID 8716905

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-hydrazinylpyrimidine-5-sulfonamide?
The IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-hydrazinylpyrimidine-5-sulfonamide (CID 61329687) is N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-hydrazinylpyrimidine-5-sulfonamide.
What is the SMILES notation for N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-hydrazinylpyrimidine-5-sulfonamide?
The canonical SMILES for N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-hydrazinylpyrimidine-5-sulfonamide is CN(C)CC(C)(C)CNS(=O)(=O)c1cnc(NN)nc1.
What is the InChIKey of N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-hydrazinylpyrimidine-5-sulfonamide?
The InChIKey is OZRYWSSITAEHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N6O2S/c1-11(2,8-17(3)4)7-15-20(18,19)9-5-13-10(16-12)14-6-9/h5-6,15H,7-8,12H2,1-4H3,(H,13,14,16).
What are the key properties of N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-hydrazinylpyrimidine-5-sulfonamide?
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-hydrazinylpyrimidine-5-sulfonamide has a molecular weight of 302.40 g/mol, XLogP of -0.37, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-hydrazinylpyrimidine-5-sulfonamide is sourced from PubChem (CID 61329687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).